N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide

C28H30N6O3S — CID 134443205

IUPACN-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESC=C(Cn1cc2cc(NC(=O)c3cccc(-c4cccc(S(C)(=O)=O)c4)n3)ccc2n1)N1CCN(C)CC1
InChIInChI=1S/C28H30N6O3S/c1-20(33-14-12-32(2)13-15-33)18-34-19-22-16-23(10-11-26(22)31-34)29-28(35)27-9-5-8-25(30-27)21-6-4-7-24(17-21)38(3,36)37/h4-11,16-17,19H,1,12-15,18H2,2-3H3,(H,29,35)
InChIKeyAXZHAXWEURCBPW-UHFFFAOYSA-N
MW530.65 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide

N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 134443205) has the molecular formula C28H30N6O3S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID134443205
Molecular FormulaC28H30N6O3S
Molecular Weight530.65 g/mol
Exact Mass530.21
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESC=C(Cn1cc2cc(NC(=O)c3cccc(-c4cccc(S(C)(=O)=O)c4)n3)ccc2n1)N1CCN(C)CC1
InChIInChI=1S/C28H30N6O3S/c1-20(33-14-12-32(2)13-15-33)18-34-19-22-16-23(10-11-26(22)31-34)29-28(35)27-9-5-8-25(30-27)21-6-4-7-24(17-21)38(3,36)37/h4-11,16-17,19H,1,12-15,18H2,2-3H3,(H,29,35)
InChIKeyAXZHAXWEURCBPW-UHFFFAOYSA-N
XLogP3.52
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

formic acid;N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159944234
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 118182513
N-[2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173134
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134422733
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
6-(azetidin-3-ylamino)-N-[2-[2-[4-(cyclopropanecarbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 122650761
N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173128
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide (CID 134443205) is N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide is C=C(Cn1cc2cc(NC(=O)c3cccc(-c4cccc(S(C)(=O)=O)c4)n3)ccc2n1)N1CCN(C)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is AXZHAXWEURCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S/c1-20(33-14-12-32(2)13-15-33)18-34-19-22-16-23(10-11-26(22)31-34)29-28(35)27-9-5-8-25(30-27)21-6-4-7-24(17-21)38(3,36)37/h4-11,16-17,19H,1,12-15,18H2,2-3H3,(H,29,35).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 134443205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).